⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7724368 | 1.00 | — | — | |
| SCHEMBL10011528 | 0.80 | — | — | |
| SCHEMBL15591532 | 0.79 | — | — | |
| SCHEMBL7724629 | 0.76 | CYP1A2 (0.44) | — | |
| SCHEMBL7724626 | 0.76 | CYP1A2 (0.44) | — | |
| SCHEMBL6807263 | 0.72 | — | — | |
| SCHEMBL7140584 | 0.72 | — | — | |
| SCHEMBL7140588 | 0.72 | — | — | |
| SCHEMBL6807179 | 0.72 | — | — | |
| SCHEMBL6807180 | 0.72 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6403818-B1 | ONE POT PROCESS STARTING FROM CARBONYL COMPOUND, ALCOHOL, THIOL OR AMINE, AND PROTECTED HYDROXYDICYANO COMPOUND | EISAI CO., LTD. (JP) | 2002-06-11 | — | — | US | disclosed |